Determination of structural properties in the adsorption of drugs on chitosan-hydrogels for type 2 diabetes by means of the PM6 method
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| Format: | Artículo científico |
| Langue: | en |
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Universidad Nacional de Colombia
2020
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| author | Nancy Liliana Delgadillo Armendariz |
| author_facet | Nancy Liliana Delgadillo Armendariz |
| contents | Determination of structural properties in the adsorption of drugs on chitosan-hydrogels for type 2 diabetes by means of the PM6 method Nancy Liliana Delgadillo Armendariz Norma Aurea Rangel Vázquez Edgar Alexander Márquez Brazón Química diabetes hydrogels metformin Adsorption glibenclamide Computational chemistry performs the modeling and calculation of physicochemical properties that allow understanding of the different molecular interactions at the nanometric scale in medical applications such as the design of controlled release systems. The PM6 model was used to analyze metformin and glibenclamide. First, the energy properties as the Gibbs free energy and enthalpies were obtained. The results showed the affinity of both drugs with water (glibenclamide: -7.96 and metformin: -11.49) due to the formation of hydrogen bonds, which were verified by the electronegativities corresponding to the dipole moment and to the partition coefficient (Log P).Subsequently, the main properties for the design of a release system using the metformin/glibenclamide complex in the chitosan hydrogel were determined. In this process it was appreciated that the Gibbs free energy (-2157.60 kcal/mol) determined the thermodynamic stability of the adsorption. In addition, the Log P (-25.82) indicated an instantaneous solubility through the formation of hydrogen bonds and were verified by the electronic distribution and the change in dipole moment. 2020 artículo científico 0120-2804 https://www.redalyc.org/articulo.oa?id=309063462002 https://www.redalyc.org/journal/3090/309063462002/ https://www.redalyc.org/journal/3090/309063462002/html/ https://www.redalyc.org/journal/3090/309063462002/309063462002.epub https://www.redalyc.org/journal/3090/309063462002/movil en http://www.redalyc.org/revista.oa?id=3090 Revista Colombiana de Química application/pdf Universidad Nacional de Colombia Revista Colombiana de Química (Colombia) Num.2 Vol.49 |
| format | Artículo científico |
| id | redalyc_309063462002 |
| institution | Redalyc |
| language | en |
| publishDate | 2020 |
| publisher | Universidad Nacional de Colombia |
| spellingShingle | Determination of structural properties in the adsorption of drugs on chitosan-hydrogels for type 2 diabetes by means of the PM6 method Nancy Liliana Delgadillo Armendariz Química diabetes hydrogels metformin Adsorption glibenclamide Determination of structural properties in the adsorption of drugs on chitosan-hydrogels for type 2 diabetes by means of the PM6 method Nancy Liliana Delgadillo Armendariz Norma Aurea Rangel Vázquez Edgar Alexander Márquez Brazón Química diabetes hydrogels metformin Adsorption glibenclamide Computational chemistry performs the modeling and calculation of physicochemical properties that allow understanding of the different molecular interactions at the nanometric scale in medical applications such as the design of controlled release systems. The PM6 model was used to analyze metformin and glibenclamide. First, the energy properties as the Gibbs free energy and enthalpies were obtained. The results showed the affinity of both drugs with water (glibenclamide: -7.96 and metformin: -11.49) due to the formation of hydrogen bonds, which were verified by the electronegativities corresponding to the dipole moment and to the partition coefficient (Log P).Subsequently, the main properties for the design of a release system using the metformin/glibenclamide complex in the chitosan hydrogel were determined. In this process it was appreciated that the Gibbs free energy (-2157.60 kcal/mol) determined the thermodynamic stability of the adsorption. In addition, the Log P (-25.82) indicated an instantaneous solubility through the formation of hydrogen bonds and were verified by the electronic distribution and the change in dipole moment. 2020 artículo científico 0120-2804 https://www.redalyc.org/articulo.oa?id=309063462002 https://www.redalyc.org/journal/3090/309063462002/ https://www.redalyc.org/journal/3090/309063462002/html/ https://www.redalyc.org/journal/3090/309063462002/309063462002.epub https://www.redalyc.org/journal/3090/309063462002/movil en http://www.redalyc.org/revista.oa?id=3090 Revista Colombiana de Química application/pdf Universidad Nacional de Colombia Revista Colombiana de Química (Colombia) Num.2 Vol.49 |
| title | Determination of structural properties in the adsorption of drugs on chitosan-hydrogels for type 2 diabetes by means of the PM6 method |
| topic | Química diabetes hydrogels metformin Adsorption glibenclamide |
| url | https://www.redalyc.org/articulo.oa?id=309063462002 https://www.redalyc.org/journal/3090/309063462002/ https://www.redalyc.org/journal/3090/309063462002/html/ https://www.redalyc.org/journal/3090/309063462002/309063462002.epub https://www.redalyc.org/journal/3090/309063462002/movil |